1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine

C7H9N3O2S2 — CID 130815320

IUPAC1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCc2cnsn2)C1
InChIInChI=1S/C7H9N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-9-13-10-7/h1-2,4,6,8H,3,5H2
InChIKeyHOQISDWPOJGNRB-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.06
Rot. Bonds3

About 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine

1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine (PubChem CID 130815320) has the molecular formula C7H9N3O2S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine
PubChem CID130815320
Molecular FormulaC7H9N3O2S2
Molecular Weight231.30 g/mol
Exact Mass231.01
IUPAC Name1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(NCc2cnsn2)C1
InChIInChI=1S/C7H9N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-9-13-10-7/h1-2,4,6,8H,3,5H2
InChIKeyHOQISDWPOJGNRB-UHFFFAOYSA-N
XLogP-0.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine (CID 130815320) is 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(NCc2cnsn2)C1.
What is the InChIKey of 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine?
The InChIKey is HOQISDWPOJGNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S2/c11-14(12)2-1-6(5-14)8-3-7-4-9-13-10-7/h1-2,4,6,8H,3,5H2.
What are the key properties of 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine?
1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine has a molecular weight of 231.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1,2,5-thiadiazol-3-ylmethyl)-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 130815320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).